2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-hydroxy-butanoic acid CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-hydroxy-butyric acid Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CCC1=NC2=CC=CC=C2S1)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CCC1=NC2=CC=CC=C2S1)O

InChI

InChI=1S/C14H16N2O4S/c1-8(17)13(14(19)20)16-11(18)6-7-12-15-9-4-2-3-5-10(9)21-12/h2-5,8,13,17H,6-7H2,1H3,(H,16,18)(H,19,20)